3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-thiophen-3-yl-pentane-1,5-dione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-thiophen-3-yl-pentane-1,5-dione Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-(3-thienyl)pentane-1,5-dione CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-(3-thiophenyl)pentane-1,5-dione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-thiophen-3-ylpentane-1,5-dione Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxyphenyl)-5-(3-thienyl)pentane-1,5-dione Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CSC=C3)CC(=O)C4=CC=CC=C4O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CSC=C3)CC(=O)C4=CC=CC=C4O

InChI

InChI=1S/C22H18O5S/c23-18-4-2-1-3-17(18)20(25)10-16(9-19(24)15-7-8-28-12-15)14-5-6-21-22(11-14)27-13-26-21/h1-8,11-12,16,23H,9-10,13H2